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3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one

C17H26N4O2 — CID 159740350

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one
SMILESCC(CC(=O)c1cnccc1N)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C17H26N4O2/c1-11(9-16(22)14-10-20-6-3-15(14)19)13-4-7-21(8-5-13)17(23)12(2)18/h3,6,10-13H,4-5,7-9,18H2,1-2H3,(H2,19,20)/t11?,12-/m0/s1
InChIKeyNCJLVRQGMMQOCC-KIYNQFGBSA-N
MW318.42 g/mol
LogP1.46
Rot. Bonds5

About 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one

3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one (PubChem CID 159740350) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one
PubChem CID159740350
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one
SMILESCC(CC(=O)c1cnccc1N)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C17H26N4O2/c1-11(9-16(22)14-10-20-6-3-15(14)19)13-4-7-21(8-5-13)17(23)12(2)18/h3,6,10-13H,4-5,7-9,18H2,1-2H3,(H2,19,20)/t11?,12-/m0/s1
InChIKeyNCJLVRQGMMQOCC-KIYNQFGBSA-N
XLogP1.46
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one?
The IUPAC name of 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one (CID 159740350) is 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one.
What is the SMILES notation for 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one?
The canonical SMILES for 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one is CC(CC(=O)c1cnccc1N)C1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one?
The InChIKey is NCJLVRQGMMQOCC-KIYNQFGBSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(9-16(22)14-10-20-6-3-15(14)19)13-4-7-21(8-5-13)17(23)12(2)18/h3,6,10-13H,4-5,7-9,18H2,1-2H3,(H2,19,20)/t11?,12-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one?
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one is sourced from PubChem (CID 159740350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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